2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine

C14H29F3N2 — CID 170035371

IUPAC2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine
SMILESCC[C@@H](C(F)C[C@H](C)C(C)C)N(C)NCCC(F)F
InChIInChI=1S/C14H29F3N2/c1-6-13(12(15)9-11(4)10(2)3)19(5)18-8-7-14(16)17/h10-14,18H,6-9H2,1-5H3/t11-,12?,13-/m0/s1
InChIKeyBSJNVAKHIYQINM-RXTYADHFSA-N
MW282.39 g/mol
LogP3.88
Rot. Bonds10

About 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine

2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine (PubChem CID 170035371) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine.

Molecular Properties

Compound Name2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine
PubChem CID170035371
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine
SMILESCC[C@@H](C(F)C[C@H](C)C(C)C)N(C)NCCC(F)F
InChIInChI=1S/C14H29F3N2/c1-6-13(12(15)9-11(4)10(2)3)19(5)18-8-7-14(16)17/h10-14,18H,6-9H2,1-5H3/t11-,12?,13-/m0/s1
InChIKeyBSJNVAKHIYQINM-RXTYADHFSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-Difluoroethyl)-4-propan-2-yl-5-propylpyrazolidine
CID 135291802
2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine
CID 152810860
1-(6-Cyclopentyl-7-fluorooctan-3-yl)-1,2-dimethylhydrazine
CID 154974617
(5,5-Difluoro-6-methyloctyl)hydrazine
CID 155749501
1,2-Dimethyl-1-(1,1,1-trifluoro-7-methyloctan-2-yl)hydrazine
CID 156088320
1,1-Dimethyl-2-[3-(trifluoromethyl)cyclohexyl]hydrazine
CID 83005427
1,1-Dimethyl-2-[2-(trifluoromethyl)cyclohexyl]hydrazine
CID 83006260
1,1-Dimethyl-2-[4-(trifluoromethyl)cyclohexyl]hydrazine
CID 83006851
[5-Ethyl-1,1,1-trifluoro-2-(trifluoromethyl)nonan-3-yl]hydrazine
CID 103312731
[1,1,1-Trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine
CID 103312753
[1,1,1-Trifluoro-2-(trifluoromethyl)decan-3-yl]hydrazine
CID 103312754
[1,1,1-Trifluoro-2-(trifluoromethyl)nonan-3-yl]hydrazine
CID 103312756

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine?
The IUPAC name of 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine (CID 170035371) is 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine.
What is the SMILES notation for 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine?
The canonical SMILES for 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine is CC[C@@H](C(F)C[C@H](C)C(C)C)N(C)NCCC(F)F.
What is the InChIKey of 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine?
The InChIKey is BSJNVAKHIYQINM-RXTYADHFSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-6-13(12(15)9-11(4)10(2)3)19(5)18-8-7-14(16)17/h10-14,18H,6-9H2,1-5H3/t11-,12?,13-/m0/s1.
What are the key properties of 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine?
2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine has a molecular weight of 282.39 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropyl)-1-[(3S,6S)-4-fluoro-6,7-dimethyloctan-3-yl]-1-methylhydrazine is sourced from PubChem (CID 170035371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).